N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C15H17N5O3 — CID 91945696

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C15H17N5O3/c1-10(21)18-11-3-5-12(6-4-11)19-14(22)9-16-15(23)13-7-8-17-20(13)2/h3-8H,9H2,1-2H3,(H,16,23)(H,18,21)(H,19,22)
InChIKeyOYGDWSYYGWCSPH-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.75
Rot. Bonds5

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91945696) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID91945696
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1
InChIInChI=1S/C15H17N5O3/c1-10(21)18-11-3-5-12(6-4-11)19-14(22)9-16-15(23)13-7-8-17-20(13)2/h3-8H,9H2,1-2H3,(H,16,23)(H,18,21)(H,19,22)
InChIKeyOYGDWSYYGWCSPH-UHFFFAOYSA-N
XLogP0.75
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 91945696) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is CC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccnn2C)cc1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is OYGDWSYYGWCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(21)18-11-3-5-12(6-4-11)19-14(22)9-16-15(23)13-7-8-17-20(13)2/h3-8H,9H2,1-2H3,(H,16,23)(H,18,21)(H,19,22).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91945696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).